Pubblicazioni scientifiche

Marcheselli J.; Chateau D.; Lerouge F.; Baldeck P.; Andraud C.; Parola S.; Baroni S.; Corni S.; Garavelli M.; Rivalta I., Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 3807 - 3815 [Articolo in rivista] Open Access

Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De Vico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V., Modern quantum chemistry with [open]molcas, «THE JOURNAL OF CHEMICAL PHYSICS», 2020, 152, pp. 1 - 25 [Articolo in rivista] Open Access

Stoycheva J.; Tadjer A.; Garavelli M.; Spassova M.; Nenov A.; Romanova J., Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2020, 11, pp. 1390 - 1396 [Articolo in rivista] Open Access

Maiuri M.; Garavelli M.; Cerullo G., Ultrafast Spectroscopy: State of the Art and Open Challenges, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2020, 142, pp. 3 - 15 [Articolo in rivista] Open Access

Pandolfi L.; Rivalta A.; Salzillo T.; Giunchi A.; D'Agostino S.; Della Valle R.G.; Brillante A.; Venuti E., In Search of Surface-Induced Crystal Structures: The Case of Tyrian Purple, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2020, 124, pp. 17702 - 17710 [Articolo in rivista] Open Access

Masino M.; Salzillo T.; Brillante A.; Della Valle R.G.; Venuti E.; Girlando A., Experimental Estimate of the Holstein Electron–Phonon Coupling Constants in Perylene, «ADVANCED ELECTRONIC MATERIALS», 2020, 6, pp. 1 - 7 [Articolo in rivista]

Salzillo T.; Della Valle R.G. ; Venuti E.; Brillante A.; Kociok-Kohn G.; Di Nuzzo D.; Masino M.; Girlando A., (Perylene)3-(TCNQF1)2: Yet another member in the series of perylene–TCNQFx polymorphic charge transfer crystals, «CRYSTALS», 2020, 10, pp. 1 - 9 [Articolo in rivista] Open Access

Volpe C.; Meninno S.; Roselli A.; Mancinelli M.; Mazzanti A.; Lattanzi A., Nitrone/Imine Selectivity Switch in Base-Catalysed Reaction of Aryl Acetic Acid Esters with Nitrosoarenes: Joint Experimental and Computational Study, «ADVANCED SYNTHESIS & CATALYSIS», 2020, 362, pp. 5457 - 5466 [Articolo in rivista] Open Access

Mancinelli M.; Bencivenni G.; Pecorari D.; Mazzanti A., Stereochemistry and Recent Applications of Axially Chiral Organic Molecules, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2020, 2020, pp. 4070 - 4086 [Articolo in rivista] Open Access

Fiorini V.; Marchini E.; Averardi M.; Giorgini L.; Muzzioli S.; Dellai A.; Argazzi R.; Sanson A.; Sangiorgi N.; Caramori S.; Stagni S., New examples of Ru(ii)-tetrazolato complexes as thiocyanate-free sensitizers for dye-sensitized solar cells, «DALTON TRANSACTIONS», 2020, 49, pp. 14543 - 14555 [Articolo in rivista] Open Access

Dolci L.S.; Albertini B.; Di Filippo M.F.; Bonvicini F.; Passerini N.; Panzavolta S., Development and in vitro evaluation of mucoadhesive gelatin films for the vaginal delivery of econazole, «INTERNATIONAL JOURNAL OF PHARMACEUTICS», 2020, 591, pp. 1 - 12 [Articolo in rivista] Open Access

Aguilera D.A.; Tanchoux N.; Fochi M.; Bernardi L., Blue Chemistry. Marine Polysaccharide Biopolymers in Asymmetric Catalysis: Challenges and Opportunities, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2020, 2020, pp. 3779 - 3795 [Articolo in rivista] Open Access

Bisag G.D.; Ruggieri S.; Fochi M.; Bernardi L., Sulfoxonium ylides: Simple compounds with chameleonic reactivity, «ORGANIC & BIOMOLECULAR CHEMISTRY», 2020, 18, pp. 8793 - 8809 [Articolo in rivista] Open Access

Bertuzzi G.; Silvestrini F.; Moimare P.; Pecorari D.; Mazzanti A.; Bernardi L.; Fochi M., Chemodivergent Preparation of Various Heterocycles via Phase-Transfer Catalysis: Enantioselective Synthesis of Functionalized Piperidines, «ADVANCED SYNTHESIS & CATALYSIS», 2020, 362, pp. 1167 - 1175 [Articolo in rivista] Open Access

Corti V.; Marcantonio E.; Mamone M.; Giungi A.; Fochi M.; Bernardi L., Synergistic palladium-phosphoric acid catalysis in (3 + 2) cycloaddition reactions between vinylcyclopropanes and imines, «CATALYSTS», 2020, 10, pp. 1 - 14 [Articolo in rivista] Open Access

Sicignano M.; Schettini R.; Pierri G.; Marino M.L.; Izzo I.; De Riccardis F.; Bernardi L.; Sala G.D., An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation, «JOURNAL OF ORGANIC CHEMISTRY», 2020, 85, pp. 7476 - 7484 [Articolo in rivista] Open Access

Sicignano M.; Rodriguez R.I.; Capaccio V.; Borello F.; Cano R.; De Riccardis F.; Bernardi L.; Diaz-Tendero S.; Della Sala G.; Aleman J., Asymmetric trifluoromethylthiolation of azlactones under chiral phase transfer catalysis, «ORGANIC & BIOMOLECULAR CHEMISTRY», 2020, 18, pp. 2914 - 2920 [Articolo in rivista] Open Access

L. Izzo, T. Tabanelli, F. Cavani, P. Blair Vasquez, C. Lucarelli, M. Mella, The competition between dehydrogenation and dehydration reactions for primary and secondary alcohols over gallia: unravelling the effects of molecular and electronic structure via a two-pronged theoretical/experimental approach., «CATALYSIS SCIENCE & TECHNOLOGY», 2020, 10, pp. 3433 - 3449 [Articolo in rivista] Open Access

Roselli A.; Carvalho Y.; Dumeignil F.; Cavani F.; Paul S.; Wojcieszak R., Liquid phase furfural oxidation under uncontrolled pH in batch and flow conditions: The role of in situ formed base, «CATALYSTS», 2020, 10, pp. 1 - 12 [Articolo in rivista] Open Access

Capece N.; Sadier A.; Palombo Ferraz C.; Thuriot-Roukos J.; Pietrowski M.; Zielinski M.; Paul S.; Cavani F.; Wojcieszak R., Aerobic oxidation of 1,6-hexanediol to adipic acid over Au-based catalysts: The role of basic supports, «CATALYSIS SCIENCE & TECHNOLOGY», 2020, 10, pp. 2644 - 2651 [Articolo in rivista] Open Access